SCHEMBL30336161

SCHEMBL30336161

CN(C)CCn1c(=O)oc2ccc(Br)cc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.63
CBX7 O95931 1/20 0.47
CDYL2 Q8N8U2 1/20 0.47
CDYL Q9Y232 1/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.44
KMO O15229 2/20 0.43
RAB9A P51151 3/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16932268 1.00 SIGMAR1 (0.63) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL21985831 0.86 SIGMAR1 (0.58) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16948414 0.84 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMEN1TSHR
SCHEMBL782891 0.84 SIGMAR1 (0.57) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL8568187 0.83 SIGMAR1 (0.51) SIGMAR1NOS3NOS1NOS2ALDH1A1
SCHEMBL26614669 0.81 SIGMAR1 (0.54) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16939090 0.81 KMO (0.50) SIGMAR1NOS3NOS1NOS2ALDH1A1
SCHEMBL25613249 0.81 SIGMAR1 (0.49) SIGMAR1NOS3NOS1NOS2ALDH1A1
SCHEMBL616373 0.80 SIGMAR1 (0.53) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30336433 0.80 SIGMAR1 (0.53) SIGMAR1CBX7CDYL2CDYLCDY1; CDY1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
CN-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 SIGMAR1 2490/4885CBX7 2034/4885CDYL2 2902/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.